Trajectory 696

Order parameters quality = 0.6426

Computational methods Simulation metadata
System Slipids_POPC_L
Author(s) Matti Javanainen
Date 17/10/2022
DOI 10.5281/zenodo.7022749
Publication N/A
Force field Slipids
Simulation length (ps) 1001000
Trajectory size 1095749956
Pre-equilibration time 0
Time left out 100
Temperature (K) 298.15
Number of particles 290816
Software gromacs
Ions N/A
Water TP3
Lipids - L1 POPC (512)
Lipids - L2 POPC (512)
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Upper leaflet
Lower leaflet

Lipids


POPC
  • Quality total: 0.6426
  • Quality headgroups: 0.5897
  • Quality tails: 0.66905
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Related experiments:

Article DOI Internal ID Type Temperature Actions
10.1021/acs.jctc.3c00648 10.1021/acs.jctc.3c00648/1 FF 300 View
10.1039/c2cp42738a 10.1039/c2cp42738a/1 OP 298 View
10.1021/acs.jpcb.4c04719 10.1021/acs.jpcb.4c04719/4 OP 298 View

Order Parameters POPC

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Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

Area per lipid

Form Factor

Experimental and Molecular Dynamics based descriptors

Quality of Order Parameters : 0.6426
OP Quality of headgroups: 0.5897
OP Quality of tails: 0.669
FF Quality: 0.455

Bilayer thickness : 4.1 nm
Area per lipid : 64 Å2